ketcher-react 2.6.0-rc.1 → 2.6.0-rc.2

package/dist/index.js

@@ -447,8 +447,8 @@ function exec(action) {
   return enabled;
 }
 
-function ownKeys$11(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
-function _objectSpread$11(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$11(Object(source), !0).forEach(function (key) { _defineProperty__default["default"](target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$11(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
+function ownKeys$12(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
+function _objectSpread$12(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$12(Object(source), !0).forEach(function (key) { _defineProperty__default["default"](target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$12(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
 var editor = {
   resetToSelect: {
     title: 'Reset to Select Tool',
@@ -607,6 +607,12 @@ var render = {
   }
 };
 var server = {
+  'dearomatize-on-load': {
+    title: 'dearomatize-on-load',
+    type: 'boolean',
+    description: 'slider',
+    "default": false
+  },
   'smart-layout': {
     title: 'Smart-layout',
     type: 'boolean',
@@ -690,7 +696,7 @@ var optionsSchema = {
   title: 'Settings',
   type: 'object',
   required: [],
-  properties: _objectSpread$11(_objectSpread$11(_objectSpread$11(_objectSpread$11(_objectSpread$11({}, editor), render), server), debug), miew)
+  properties: _objectSpread$12(_objectSpread$12(_objectSpread$12(_objectSpread$12(_objectSpread$12({}, editor), render), server), debug), miew)
 };
 function getDefaultOptions() {
   if (!optionsSchema.properties) return {};
@@ -751,8 +757,8 @@ var storage = {
   }
 };
 
-function ownKeys$10(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
-function _objectSpread$10(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$10(Object(source), !0).forEach(function (key) { _defineProperty__default["default"](target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$10(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
+function ownKeys$11(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
+function _objectSpread$11(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$11(Object(source), !0).forEach(function (key) { _defineProperty__default["default"](target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$11(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
 var initOptionsState = {
   app: {
     server: false,
@@ -848,27 +854,27 @@ function optionsReducer() {
   var action = arguments.length > 1 ? arguments[1] : undefined;
   var type = action.type,
       data = action.data;
-  if (type === 'APP_OPTIONS') return _objectSpread$10(_objectSpread$10({}, state), {}, {
-    app: _objectSpread$10(_objectSpread$10({}, state.app), data)
+  if (type === 'APP_OPTIONS') return _objectSpread$11(_objectSpread$11({}, state), {}, {
+    app: _objectSpread$11(_objectSpread$11({}, state.app), data)
   });
-  if (type === 'SAVE_SETTINGS') return _objectSpread$10(_objectSpread$10({}, state), {}, {
+  if (type === 'SAVE_SETTINGS') return _objectSpread$11(_objectSpread$11({}, state), {}, {
     settings: data
   });
-  if (type === 'SAVE_CHECK_OPTS') return _objectSpread$10(_objectSpread$10({}, state), {}, {
+  if (type === 'SAVE_CHECK_OPTS') return _objectSpread$11(_objectSpread$11({}, state), {}, {
     check: data
   });
-  if (type === 'CHANGE_ANALYSE') return _objectSpread$10(_objectSpread$10({}, state), {}, {
-    analyse: _objectSpread$10(_objectSpread$10(_objectSpread$10({}, state.analyse), data), {}, {
+  if (type === 'CHANGE_ANALYSE') return _objectSpread$11(_objectSpread$11({}, state), {}, {
+    analyse: _objectSpread$11(_objectSpread$11(_objectSpread$11({}, state.analyse), data), {}, {
       loading: false
     })
   });
-  if (type === 'ANALYSE_LOADING') return _objectSpread$10(_objectSpread$10({}, state), {}, {
-    analyse: _objectSpread$10(_objectSpread$10({}, state.analyse), {}, {
+  if (type === 'ANALYSE_LOADING') return _objectSpread$11(_objectSpread$11({}, state), {}, {
+    analyse: _objectSpread$11(_objectSpread$11({}, state.analyse), {}, {
       loading: true
     })
   });
-  if (recognizeActions.includes(type)) return _objectSpread$10(_objectSpread$10({}, state), {}, {
-    recognize: _objectSpread$10(_objectSpread$10({}, state.recognize), data)
+  if (recognizeActions.includes(type)) return _objectSpread$11(_objectSpread$11({}, state), {}, {
+    recognize: _objectSpread$11(_objectSpread$11({}, state.recognize), data)
   });
   return state;
 }
@@ -1164,8 +1170,8 @@ function getSdataDefault(context, fieldName) {
   return sdataSchema[context][fieldName] ? sdataSchema[context][fieldName].properties.fieldValue["default"] : '';
 }
 
-function ownKeys$$(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
-function _objectSpread$$(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$$(Object(source), !0).forEach(function (key) { _defineProperty__default["default"](target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$$(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
+function ownKeys$10(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
+function _objectSpread$10(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$10(Object(source), !0).forEach(function (key) { _defineProperty__default["default"](target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$10(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
 var initSdata = function initSdata() {
   var context = getSdataDefault();
   var fieldName = getSdataDefault(context);
@@ -1185,7 +1191,7 @@ var initSdata = function initSdata() {
 };
 function sdataReducer(state, action) {
   if (action.data.result.init) {
-    return correctErrors(_objectSpread$$(_objectSpread$$({}, state), {}, {
+    return correctErrors(_objectSpread$10(_objectSpread$10({}, state), {}, {
       result: Object.assign({}, state.result, action.data.result)
     }), action.data);
   }
@@ -1193,7 +1199,7 @@ function sdataReducer(state, action) {
   var actionFieldName = action.data.result.fieldName;
   var newstate = null;
   if (actionContext !== state.result.context) newstate = onContextChange(state, action.data.result);else if (actionFieldName !== state.result.fieldName) newstate = onFieldNameChange(state, action.data.result);
-  newstate = newstate || _objectSpread$$(_objectSpread$$({}, state), {}, {
+  newstate = newstate || _objectSpread$10(_objectSpread$10({}, state), {}, {
     result: Object.assign({}, state.result, action.data.result)
   });
   return correctErrors(newstate, action.data);
@@ -1217,7 +1223,7 @@ var onContextChange = function onContextChange(state, payload) {
   var fValue = fieldValue;
   if (fValue === state.result.fieldValue) fValue = getSdataDefault(context, fieldName);
   return {
-    result: _objectSpread$$(_objectSpread$$({}, payload), {}, {
+    result: _objectSpread$10(_objectSpread$10({}, payload), {}, {
       context: context,
       fieldName: fieldName,
       fieldValue: fValue
@@ -1231,7 +1237,7 @@ var onFieldNameChange = function onFieldNameChange(state, payload) {
   if (sdataSchema[context][fieldName]) fieldValue = getSdataDefault(context, fieldName);
   if (fieldValue === state.result.fieldValue && sdataSchema[context][state.result.fieldName]) fieldValue = '';
   return {
-    result: _objectSpread$$(_objectSpread$$({}, payload), {}, {
+    result: _objectSpread$10(_objectSpread$10({}, payload), {}, {
       fieldName: fieldName,
       fieldValue: fieldValue
     })
@@ -1369,8 +1375,8 @@ function formReducer(state, action, formName) {
 var INDIGO_VERIFICATION = 'INDIGO_VERIFICATION';
 var ANALYZING_FILE = 'ANALYZING_FILE';
 
-function ownKeys$_(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
-function _objectSpread$_(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$_(Object(source), !0).forEach(function (key) { _defineProperty__default["default"](target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$_(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
+function ownKeys$$(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
+function _objectSpread$$(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$$(Object(source), !0).forEach(function (key) { _defineProperty__default["default"](target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$$(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
 function indigoVerification(data) {
   return {
     type: INDIGO_VERIFICATION,
@@ -1395,13 +1401,13 @@ function requestReducer () {
   switch (type) {
     case INDIGO_VERIFICATION:
       {
-        return _objectSpread$_(_objectSpread$_({}, state), {}, {
+        return _objectSpread$$(_objectSpread$$({}, state), {}, {
           indigoVerification: data
         });
       }
     case ANALYZING_FILE:
       {
-        return _objectSpread$_(_objectSpread$_({}, state), {}, {
+        return _objectSpread$$(_objectSpread$$({}, state), {}, {
           isAnalyzingFile: data
         });
       }
@@ -1674,12 +1680,12 @@ var attachSchema = {
 };
 
 var _excluded$E = ["type", "radiobuttons"];
-function ownKeys$Z(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
-function _objectSpread$Z(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$Z(Object(source), !0).forEach(function (key) { _defineProperty__default["default"](target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$Z(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
+function ownKeys$_(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
+function _objectSpread$_(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$_(Object(source), !0).forEach(function (key) { _defineProperty__default["default"](target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$_(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
 var DefaultStereoGroupNumber = 1;
 function fromElement(selem) {
   if (selem.label === 'R#') {
-    return _objectSpread$Z({
+    return _objectSpread$_({
       type: 'rlabel',
       values: fromRlabel(selem.rglabel)
     }, selem);
@@ -1729,14 +1735,15 @@ function fromAtom(satom) {
   };
 }
 function toAtom(atom$1) {
+  var _atom$exactChangeFlag, _atom$unsaturatedAtom;
   var chargeRegexp = new RegExp(atom.properties.charge.pattern);
   var pch = chargeRegexp.exec(atom$1.charge);
   var charge = pch ? parseInt(pch[1] + pch[3] + pch[2]) : atom$1.charge;
   var conv = Object.assign({}, atom$1, {
     label: fp.capitalize(atom$1.label),
     alias: atom$1.alias || null,
-    exactChangeFlag: +atom$1.exactChangeFlag,
-    unsaturatedAtom: +atom$1.unsaturatedAtom
+    exactChangeFlag: +((_atom$exactChangeFlag = atom$1.exactChangeFlag) !== null && _atom$exactChangeFlag !== void 0 ? _atom$exactChangeFlag : false),
+    unsaturatedAtom: +((_atom$unsaturatedAtom = atom$1.unsaturatedAtom) !== null && _atom$unsaturatedAtom !== void 0 ? _atom$unsaturatedAtom : false)
   });
   if (charge !== undefined) conv.charge = charge;
   return conv;
@@ -1838,7 +1845,7 @@ function fromBond(sbond) {
   };
 }
 function toBond(bond) {
-  return _objectSpread$Z({
+  return _objectSpread$_({
     topology: bond.topology,
     reactingCenterStatus: bond.center
   }, toBondType(bond.type));
@@ -1928,7 +1935,7 @@ function toSgroup(sgroup) {
   var type = sgroup.type,
       radiobuttons = sgroup.radiobuttons,
       props = _objectWithoutProperties__default["default"](sgroup, _excluded$E);
-  var attrs = _objectSpread$Z({}, props);
+  var attrs = _objectSpread$_({}, props);
   var absolute = 'absolute';
   var attached = 'attached';
   switch (radiobuttons) {
@@ -2429,6 +2436,8 @@ var tools$1 = typeSchema$1["enum"].reduce(function (res, type, i) {
 }, toolActions);
 
 var _excluded$D = ["rescale", "fragment"];
+function ownKeys$Z(object, enumerableOnly) { var keys = Object.keys(object); if (Object.getOwnPropertySymbols) { var symbols = Object.getOwnPropertySymbols(object); enumerableOnly && (symbols = symbols.filter(function (sym) { return Object.getOwnPropertyDescriptor(object, sym).enumerable; })), keys.push.apply(keys, symbols); } return keys; }
+function _objectSpread$Z(target) { for (var i = 1; i < arguments.length; i++) { var source = null != arguments[i] ? arguments[i] : {}; i % 2 ? ownKeys$Z(Object(source), !0).forEach(function (key) { _defineProperty__default["default"](target, key, source[key]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(target, Object.getOwnPropertyDescriptors(source)) : ownKeys$Z(Object(source)).forEach(function (key) { Object.defineProperty(target, key, Object.getOwnPropertyDescriptor(source, key)); }); } return target; }
 function onAction(action) {
   if (action && action.dialog) {
     return {
@@ -2475,27 +2484,30 @@ function load(struct, options) {
               server = state.server;
               errorHandler = editor.errorHandler;
               options = options || {};
+              options = _objectSpread$Z(_objectSpread$Z({}, options), {}, {
+                'dearomatize-on-load': editor.options()['dearomatize-on-load']
+              });
               dispatch(setAnalyzingFile(true));
-              _context.prev = 6;
-              _context.next = 9;
+              _context.prev = 7;
+              _context.next = 10;
               return parseStruct(struct, server, options);
-            case 9:
+            case 10:
               parsedStruct = _context.sent;
               _options2 = options, fragment = _options2.fragment;
               hasUnsupportedGroups = parsedStruct.sgroups.some(function (sGroup) {
                 return !supportedSGroupTypes[sGroup.type];
               });
               if (!hasUnsupportedGroups) {
-                _context.next = 16;
+                _context.next = 17;
                 break;
               }
-              _context.next = 15;
+              _context.next = 16;
               return editor.event.confirm.dispatch();
-            case 15:
+            case 16:
               parsedStruct.sgroups = parsedStruct.sgroups.filter(function (key, sGroup) {
                 return supportedSGroupTypes[sGroup.type];
               });
-            case 16:
+            case 17:
               parsedStruct.rescale();
               if (editor.struct().atoms.size) {
                 oldStruct = editor.struct().clone();
@@ -2542,19 +2554,19 @@ function load(struct, options) {
               dispatch({
                 type: 'MODAL_CLOSE'
               });
-              _context.next = 32;
+              _context.next = 33;
               break;
-            case 28:
-              _context.prev = 28;
-              _context.t0 = _context["catch"](6);
+            case 29:
+              _context.prev = 29;
+              _context.t0 = _context["catch"](7);
               dispatch(setAnalyzingFile(false));
               _context.t0 && errorHandler(_context.t0.message);
-            case 32:
+            case 33:
             case "end":
               return _context.stop();
           }
         }
-      }, _callee, null, [[6, 28]]);
+      }, _callee, null, [[7, 29]]);
     }));
     return function (_x, _x2) {
       return _ref.apply(this, arguments);
@@ -14776,6 +14788,7 @@ var Editor$3 = function () {
     this.errorHandler = null;
     this.highlights = new Highlighter(this);
     this.renderAndRecoordinateStruct = this.renderAndRecoordinateStruct.bind(this);
+    this.setOptions = this.setOptions.bind(this);
     this.event = {
       message: new subscription.Subscription(),
       elementEdit: new subscription.PipelineSubscription(),
@@ -14858,6 +14871,11 @@ var Editor$3 = function () {
       var superStruct = value.mergeInto(this.render.ctab.molecule);
       return this.renderAndRecoordinateStruct(superStruct);
     }
+  }, {
+    key: "setOptions",
+    value: function setOptions(opts) {
+      return this.render.updateOptions(opts);
+    }
   }, {
     key: "options",
     value: function options(value) {
@@ -21754,7 +21772,8 @@ var KetcherBuilder = function () {
                   'ignore-stereochemistry-errors': true,
                   'mass-skip-error-on-pseudoatoms': false,
                   'gross-formula-add-rsites': true,
-                  'aromatize-skip-superatoms': true
+                  'aromatize-skip-superatoms': true,
+                  'dearomatize-on-load': false
                 });
               case 1:
               case "end":
@@ -21788,8 +21807,8 @@ var KetcherBuilder = function () {
                   initApp(element, staticResourcesUrl, {
                     buttons: buttons || {},
                     errorHandler: errorHandler || null,
-                    version: "2.6.0-rc.1" ,
-                    buildDate: "2022-10-14T12:12:12" ,
+                    version: "2.6.0-rc.2" ,
+                    buildDate: "2022-10-21T11:30:05" ,
                     buildNumber: ''
                   }, structService, resolve);
                 });